==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUL-01 1IQQ . COMPND 2 MOLECULE: S3-RNASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYRUS PYRIFOLIA; . AUTHOR T.MATSUURA,H.SAKAI,S.NORIOKA . 200 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A Y 0 0 39 0, 0.0 38,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 163.4 -0.8 -12.8 -6.0 2 2 A D - 0 0 73 36,-2.9 171,-0.4 1,-0.3 2,-0.3 0.741 360.0 -14.7-107.6 -35.0 -4.3 -11.9 -7.3 3 3 A Y E -A 38 0A 6 35,-2.1 35,-3.4 169,-0.1 2,-0.4 -0.911 66.7 -99.6-159.4 174.4 -6.5 -11.4 -4.2 4 4 A F E -AB 37 171A 1 167,-2.6 167,-2.2 -2,-0.3 2,-0.5 -0.917 12.9-158.4-113.5 145.0 -6.7 -12.0 -0.5 5 5 A Q E -AB 36 170A 12 31,-2.0 31,-2.9 -2,-0.4 2,-0.7 -0.976 8.7-167.5-110.4 121.5 -8.4 -14.6 1.7 6 6 A F E -AB 35 169A 2 163,-2.7 163,-2.6 -2,-0.5 2,-0.4 -0.910 15.0-169.6-110.5 106.2 -8.9 -13.5 5.3 7 7 A T E -AB 34 168A 3 27,-2.4 26,-3.2 -2,-0.7 27,-2.1 -0.830 9.7-171.8-106.4 130.6 -9.9 -16.6 7.2 8 8 A Q E -AB 32 167A 0 159,-2.7 159,-2.2 -2,-0.4 2,-0.4 -0.884 10.3-149.2-117.5 152.0 -11.3 -16.7 10.8 9 9 A Q E -AB 31 166A 10 22,-3.0 22,-2.2 -2,-0.3 2,-0.8 -0.964 17.0-126.3-127.6 137.0 -11.8 -19.8 12.9 10 10 A Y E >> -A 30 0A 10 155,-2.8 4,-2.2 -2,-0.4 3,-0.6 -0.765 23.7-150.2 -84.8 109.3 -14.4 -20.5 15.6 11 11 A Q H 3> S+ 0 0 12 18,-2.6 4,-2.4 -2,-0.8 17,-0.2 0.831 89.4 58.1 -54.4 -41.9 -12.2 -21.6 18.5 12 12 A L H 34 S+ 0 0 67 15,-0.8 -1,-0.2 1,-0.2 16,-0.1 0.901 113.6 40.3 -56.3 -41.8 -14.7 -24.0 20.1 13 13 A A H X4 S+ 0 0 2 -3,-0.6 3,-1.5 1,-0.2 -1,-0.2 0.874 109.7 56.7 -77.2 -37.2 -15.0 -26.0 16.9 14 14 A V H >< S+ 0 0 8 -4,-2.2 3,-1.7 1,-0.3 4,-0.4 0.922 106.0 53.2 -56.8 -41.0 -11.3 -25.9 16.0 15 15 A a T 3< S+ 0 0 31 -4,-2.4 7,-0.4 1,-0.3 -1,-0.3 0.466 109.1 49.5 -77.0 -0.7 -10.6 -27.5 19.5 16 16 A N T < S+ 0 0 73 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.189 92.9 88.6-112.1 6.5 -13.1 -30.2 18.6 17 17 A S S < S- 0 0 41 -3,-1.7 2,-0.3 3,-0.1 -2,-0.2 0.780 87.8 -14.8 -83.2 -28.6 -11.4 -30.8 15.2 18 18 A N S S- 0 0 95 2,-0.4 -1,-0.1 -4,-0.4 0, 0.0 -0.901 78.8 -64.5-161.9-173.6 -8.6 -33.4 15.6 19 19 A R S S+ 0 0 251 -2,-0.3 2,-0.7 2,-0.1 -1,-0.0 0.440 99.7 93.0 -65.7 -0.3 -6.2 -35.6 17.5 20 20 A T S S- 0 0 76 2,-0.0 -2,-0.4 3,-0.0 2,-0.2 -0.857 73.6-142.2-100.2 118.5 -4.4 -32.4 18.6 21 21 A L - 0 0 128 -2,-0.7 2,-0.7 -4,-0.1 -5,-0.1 -0.498 10.8-126.3 -73.7 143.2 -5.7 -31.2 21.9 22 22 A a - 0 0 17 -7,-0.4 50,-0.2 -2,-0.2 51,-0.2 -0.874 19.7-163.8 -84.3 118.4 -6.1 -27.5 22.6 23 23 A K S S+ 0 0 141 49,-3.1 50,-0.2 -2,-0.7 -1,-0.2 0.729 75.1 60.1 -77.0 -22.1 -4.1 -27.1 25.9 24 24 A D S S- 0 0 47 47,-0.6 -2,-0.0 48,-0.3 49,-0.0 -0.844 100.5-104.3-105.2 143.9 -5.8 -23.8 26.5 25 25 A P - 0 0 117 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.494 40.8-127.1 -68.2 127.6 -9.7 -23.5 26.9 26 26 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -16,-0.0 -0.399 12.5-132.2 -75.3 156.5 -11.2 -22.1 23.7 27 27 A D - 0 0 90 2,-0.1 2,-1.7 -2,-0.1 -15,-0.8 -0.623 26.3-110.8 -96.5 161.3 -13.6 -19.1 23.6 28 28 A K S S+ 0 0 120 -2,-0.2 2,-0.3 -17,-0.2 -18,-0.1 -0.399 84.9 109.0 -89.5 64.0 -16.8 -19.2 21.7 29 29 A L S S- 0 0 70 -2,-1.7 -18,-2.6 -20,-0.1 2,-0.6 -0.958 71.7-121.5-140.1 151.1 -15.3 -16.6 19.3 30 30 A F E +A 10 0A 0 -2,-0.3 88,-0.4 -20,-0.2 2,-0.3 -0.872 39.4 169.9 -90.7 123.0 -14.0 -16.3 15.8 31 31 A T E -A 9 0A 2 -22,-2.2 -22,-3.0 -2,-0.6 37,-0.2 -0.761 42.0 -66.1-123.4 174.9 -10.3 -15.2 15.7 32 32 A V E +A 8 0A 0 35,-3.0 -24,-0.3 -2,-0.3 3,-0.1 -0.349 40.4 169.0 -71.7 135.6 -7.9 -15.1 12.9 33 33 A H E - 0 0 54 -26,-3.2 2,-0.3 1,-0.4 -25,-0.2 0.611 66.6 -27.7-106.4 -33.2 -6.6 -18.2 11.1 34 34 A G E -A 7 0A 0 -27,-2.1 -27,-2.4 2,-0.0 2,-0.4 -0.960 32.0-144.0-172.5 162.1 -4.8 -16.5 8.2 35 35 A L E -A 6 0A 0 -2,-0.3 -29,-0.2 -29,-0.2 71,-0.1 -0.933 37.5-171.3-132.2 103.2 -4.4 -13.7 5.7 36 36 A W E -A 5 0A 65 -31,-2.9 -31,-2.0 -2,-0.4 2,-0.3 -0.898 27.8-141.4-109.7 116.6 -3.4 -15.3 2.5 37 37 A P E -A 4 0A 0 0, 0.0 2,-0.3 0, 0.0 -33,-0.2 -0.618 45.7-172.8 -64.8 130.1 -2.2 -13.6 -0.7 38 38 A S E -A 3 0A 0 -35,-3.4 -36,-2.9 -2,-0.3 -35,-2.1 -0.865 25.4-127.1-133.8 160.6 -4.0 -16.0 -3.1 39 39 A N - 0 0 40 -2,-0.3 5,-0.1 3,-0.3 3,-0.1 -0.886 8.8-145.2-113.5 140.7 -4.3 -16.8 -6.8 40 40 A M S S+ 0 0 80 -2,-0.4 2,-0.5 1,-0.2 -1,-0.1 0.868 93.0 39.4 -68.6 -35.0 -7.5 -17.1 -8.8 41 41 A V S S- 0 0 133 2,-0.1 -1,-0.2 -3,-0.1 -39,-0.0 -0.967 118.7 -17.5-121.2 125.4 -6.1 -19.9 -10.9 42 42 A G S S- 0 0 48 -2,-0.5 -3,-0.3 -3,-0.1 0, 0.0 -0.123 105.6 -11.8 80.7-172.6 -3.9 -22.7 -9.5 43 43 A P S S- 0 0 115 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.214 70.1-111.3 -62.6 150.3 -2.0 -22.8 -6.2 44 44 A D - 0 0 53 1,-0.1 -6,-0.2 -5,-0.1 2,-0.0 -0.300 40.7 -93.6 -74.8 159.7 -1.5 -19.7 -4.0 45 45 A P - 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 46.5-172.0 -71.3 156.6 2.0 -18.3 -3.6 46 46 A S + 0 0 59 1,-0.1 42,-0.2 -3,-0.1 41,-0.1 -0.979 54.6 3.7-152.7 139.3 4.0 -19.5 -0.6 47 47 A K S S- 0 0 151 40,-1.6 40,-0.2 -2,-0.3 -1,-0.1 0.945 75.3-170.6 50.6 59.8 7.3 -18.5 1.0 48 48 A b - 0 0 34 38,-0.3 -1,-0.1 39,-0.2 2,-0.1 -0.490 35.7 -86.0 -78.1 151.2 8.0 -15.6 -1.2 49 49 A P - 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.324 51.8-124.3 -59.0 131.1 11.5 -14.0 -1.0 50 50 A I - 0 0 70 1,-0.1 3,-0.1 -2,-0.1 48,-0.1 -0.194 16.6-158.7 -75.4 163.5 11.5 -11.4 1.7 51 51 A K S S+ 0 0 111 1,-0.3 2,-0.3 46,-0.1 -1,-0.1 0.398 74.4 9.2-117.2 -2.6 12.4 -7.7 1.4 52 52 A N - 0 0 25 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 -0.960 60.6-132.7-169.3 163.7 13.1 -6.8 5.0 53 53 A I + 0 0 146 -2,-0.3 2,-0.3 -3,-0.1 45,-0.0 -0.999 32.6 174.6-132.8 123.6 13.6 -8.4 8.4 54 54 A R - 0 0 113 -2,-0.4 2,-0.4 0, 0.0 -2,-0.0 -0.946 27.0-129.6-134.4 156.3 11.8 -6.8 11.4 55 55 A K - 0 0 184 -2,-0.3 2,-0.3 44,-0.0 45,-0.1 -0.832 26.5-126.2-105.1 136.3 11.2 -7.4 15.1 56 56 A R - 0 0 27 -2,-0.4 2,-0.1 2,-0.0 44,-0.0 -0.652 21.0-129.0 -81.8 142.9 7.7 -7.3 16.6 57 57 A E > - 0 0 137 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.482 21.4-114.8 -85.0 159.0 7.0 -5.1 19.6 58 58 A K H > S+ 0 0 160 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.862 114.6 57.6 -62.4 -40.7 5.3 -6.4 22.7 59 59 A L H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 107.0 48.6 -59.9 -39.3 2.2 -4.2 22.1 60 60 A L H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 112.5 49.2 -64.5 -47.3 1.7 -5.8 18.7 61 61 A E H X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.860 106.0 56.2 -61.1 -33.5 2.1 -9.2 20.2 62 62 A H H X S+ 0 0 104 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.880 109.1 46.8 -65.8 -37.0 -0.4 -8.5 22.9 63 63 A Q H >X S+ 0 0 66 -4,-1.6 4,-2.5 1,-0.2 3,-1.0 0.924 111.1 51.4 -70.2 -41.0 -3.0 -7.6 20.3 64 64 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.804 99.3 64.5 -66.6 -28.3 -2.3 -10.7 18.4 65 65 A E H 3< S+ 0 0 75 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.825 115.0 33.4 -58.9 -31.0 -2.6 -12.8 21.6 66 66 A I H << S+ 0 0 110 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.2 0.837 130.2 31.1 -90.5 -38.0 -6.3 -11.7 21.5 67 67 A I H < S+ 0 0 8 -4,-2.5 -35,-3.0 1,-0.2 -3,-0.2 0.734 133.7 22.8 -99.7 -24.8 -7.0 -11.5 17.7 68 68 A W S < S+ 0 0 0 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.316 78.1 164.2-140.7 53.4 -4.7 -14.2 16.4 69 69 A P - 0 0 16 0, 0.0 2,-1.0 0, 0.0 -4,-0.1 -0.330 46.8-118.6 -70.6 154.9 -3.9 -16.8 19.1 70 70 A N - 0 0 16 1,-0.2 3,-0.4 4,-0.1 6,-0.2 -0.858 33.1-160.0 -83.8 104.1 -2.4 -20.2 18.5 71 71 A V S S+ 0 0 11 -2,-1.0 -47,-0.6 1,-0.2 3,-0.2 0.701 81.4 58.3 -66.0 -20.6 -5.5 -21.9 20.0 72 72 A F S S- 0 0 55 1,-0.3 -49,-3.1 -50,-0.2 -48,-0.3 0.843 129.3 -6.2 -79.5 -33.3 -3.7 -25.2 20.6 73 73 A D > - 0 0 16 -3,-0.4 3,-2.2 -51,-0.2 -1,-0.3 -0.693 54.6-160.3-167.4 102.5 -0.9 -23.7 22.8 74 74 A R G > S+ 0 0 123 1,-0.3 3,-1.4 -2,-0.2 4,-0.2 0.680 90.7 70.9 -62.1 -20.5 -0.5 -20.0 23.4 75 75 A T G 3 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.663 96.2 54.2 -69.1 -13.4 3.1 -20.7 24.5 76 76 A K G <> S+ 0 0 125 -3,-2.2 4,-2.1 -6,-0.2 -1,-0.2 0.227 75.7 110.8-100.9 9.3 3.9 -21.4 20.8 77 77 A N H <> S+ 0 0 6 -3,-1.4 4,-3.0 1,-0.2 5,-0.3 0.884 72.1 52.4 -52.2 -46.1 2.4 -18.1 19.6 78 78 A N H > S+ 0 0 83 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 113.6 40.1 -64.9 -43.6 5.8 -16.5 18.5 79 79 A L H > S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 115.3 55.8 -69.0 -34.6 7.0 -19.3 16.3 80 80 A F H X S+ 0 0 35 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.935 110.5 43.2 -62.2 -48.5 3.4 -19.7 15.0 81 81 A W H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.909 108.8 58.5 -66.0 -38.8 3.2 -16.0 14.0 82 82 A D H X S+ 0 0 65 -4,-2.3 4,-2.8 -5,-0.3 -1,-0.2 0.905 107.5 47.9 -55.4 -42.5 6.7 -16.2 12.5 83 83 A K H X S+ 0 0 118 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.813 107.3 54.9 -68.3 -36.2 5.5 -19.0 10.1 84 84 A E H X>S+ 0 0 30 -4,-1.6 4,-2.0 2,-0.2 5,-1.9 0.909 112.7 44.0 -63.2 -41.1 2.3 -17.1 9.1 85 85 A W H <>S+ 0 0 14 -4,-2.5 5,-2.4 3,-0.2 -2,-0.2 0.940 116.8 45.0 -65.5 -52.0 4.5 -14.2 8.0 86 86 A M H <5S+ 0 0 85 -4,-2.8 -38,-0.3 -5,-0.2 -2,-0.2 0.906 121.4 36.8 -62.1 -40.9 7.1 -16.4 6.3 87 87 A K H <5S+ 0 0 95 -4,-2.8 -40,-1.6 -40,-0.2 -39,-0.2 0.888 138.8 3.1 -78.7 -39.9 4.6 -18.6 4.5 88 88 A H T ><5S+ 0 0 14 -4,-2.0 3,-2.0 -5,-0.4 -3,-0.2 0.839 121.7 55.5-114.0 -52.7 1.9 -16.1 3.6 89 89 A G G > S+ 0 0 0 -3,-2.1 4,-2.7 -4,-0.2 3,-0.4 0.280 74.5 173.8-105.5 19.4 1.7 -9.8 -0.3 93 93 A Y T 4 + 0 0 104 -3,-0.5 4,-0.1 1,-0.3 -3,-0.0 -0.336 59.6 11.0 -70.9 145.4 4.3 -7.0 -1.2 94 94 A P T 4 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.987 128.2 52.0 -93.7 -4.4 4.0 -4.2 -1.6 95 95 A T T 4 S+ 0 0 50 -3,-0.4 2,-0.6 1,-0.2 -2,-0.2 0.930 121.4 41.8 -52.0 -43.8 0.4 -4.0 -0.3 96 96 A I S < S- 0 0 3 -4,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.928 82.7-173.9-100.2 114.4 1.8 -5.8 2.7 97 97 A D - 0 0 57 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.826 53.9 -23.6 -81.0 -36.9 5.2 -4.0 3.3 98 98 A N S > S- 0 0 17 1,-0.1 4,-2.5 -48,-0.1 -1,-0.2 -0.947 77.2 -76.3-165.3 175.2 6.9 -6.0 6.1 99 99 A E H > S+ 0 0 20 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.872 126.7 46.2 -56.9 -46.4 6.2 -8.3 9.0 100 100 A N H > S+ 0 0 29 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.942 112.9 51.1 -64.2 -42.1 4.9 -5.7 11.4 101 101 A H H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.867 105.8 57.5 -63.1 -35.3 2.7 -4.2 8.6 102 102 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.955 112.0 38.9 -59.6 -49.4 1.3 -7.6 7.9 103 103 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.874 115.0 52.7 -71.9 -37.0 0.0 -8.1 11.4 104 104 A E H X S+ 0 0 103 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.878 107.5 54.1 -63.7 -34.6 -1.1 -4.4 11.8 105 105 A T H X S+ 0 0 18 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.917 107.9 49.0 -65.2 -43.2 -3.0 -4.9 8.5 106 106 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.916 111.7 48.6 -60.6 -42.2 -4.9 -8.0 10.0 107 107 A I H X>S+ 0 0 17 -4,-2.1 4,-3.2 1,-0.2 5,-0.6 0.926 109.7 53.4 -64.6 -39.4 -5.7 -6.0 13.2 108 108 A K H <>S+ 0 0 98 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.884 111.8 45.2 -61.9 -41.3 -7.0 -3.2 11.0 109 109 A M H <5S+ 0 0 9 -4,-2.2 6,-2.1 3,-0.2 -2,-0.2 0.957 118.1 41.9 -67.5 -48.8 -9.3 -5.6 9.2 110 110 A Y H <5S+ 0 0 15 -4,-2.7 6,-1.4 5,-0.2 -2,-0.2 0.894 131.9 17.5 -66.3 -43.4 -10.6 -7.3 12.3 111 111 A I T ><5S+ 0 0 89 -4,-3.2 3,-2.3 -5,-0.2 -3,-0.2 0.886 129.3 36.4 -96.7 -70.4 -11.0 -4.3 14.5 112 112 A S T 3 > - 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